2-methoxy-N-(2-methyl-2-phenylpropyl)aniline

C17H21NO — CID 82538820

IUPAC2-methoxy-N-(2-methyl-2-phenylpropyl)aniline
SMILESCOc1ccccc1NCC(C)(C)c1ccccc1
InChIInChI=1S/C17H21NO/c1-17(2,14-9-5-4-6-10-14)13-18-15-11-7-8-12-16(15)19-3/h4-12,18H,13H2,1-3H3
InChIKeyBECDUFJCEWULLI-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.08
Rot. Bonds5

About 2-methoxy-N-(2-methyl-2-phenylpropyl)aniline

2-methoxy-N-(2-methyl-2-phenylpropyl)aniline (PubChem CID 82538820) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-methoxy-N-(2-methyl-2-phenylpropyl)aniline.

Molecular Properties

Compound Name2-methoxy-N-(2-methyl-2-phenylpropyl)aniline
PubChem CID82538820
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-methoxy-N-(2-methyl-2-phenylpropyl)aniline
SMILESCOc1ccccc1NCC(C)(C)c1ccccc1
InChIInChI=1S/C17H21NO/c1-17(2,14-9-5-4-6-10-14)13-18-15-11-7-8-12-16(15)19-3/h4-12,18H,13H2,1-3H3
InChIKeyBECDUFJCEWULLI-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyanilino)-2-phenylpropan-2-ol
CID 62374822
N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 20785776
2-N-cyclopropyl-1-N-(2-methoxyphenyl)-2-phenylpropane-1,2-diamine
CID 67657665
2-ethyl-2-[(2-methoxyanilino)methyl]butan-1-ol
CID 81410769
2-methoxy-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)aniline
CID 74337625
N-(2-methoxyphenyl)-2,2,2-triphenylacetamide
CID 11188554
2-methoxy-N-(2-phenylprop-2-enyl)aniline
CID 113288070
1-(2,4-dimethoxyanilino)-2-phenylpropan-2-ol
CID 62375323
1-(2,5-dimethoxyanilino)-2-phenylpropan-2-ol
CID 62373660
N-(2,2-difluoro-2-phenylethyl)-2-ethoxyaniline
CID 116788704
N-[2-(2,4-ditert-butylphenoxy)ethyl]-2-methoxyaniline
CID 54798140
1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
CID 108996173

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methyl-2-phenylpropyl)aniline?
The IUPAC name of 2-methoxy-N-(2-methyl-2-phenylpropyl)aniline (CID 82538820) is 2-methoxy-N-(2-methyl-2-phenylpropyl)aniline.
What is the SMILES notation for 2-methoxy-N-(2-methyl-2-phenylpropyl)aniline?
The canonical SMILES for 2-methoxy-N-(2-methyl-2-phenylpropyl)aniline is COc1ccccc1NCC(C)(C)c1ccccc1.
What is the InChIKey of 2-methoxy-N-(2-methyl-2-phenylpropyl)aniline?
The InChIKey is BECDUFJCEWULLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-17(2,14-9-5-4-6-10-14)13-18-15-11-7-8-12-16(15)19-3/h4-12,18H,13H2,1-3H3.
What are the key properties of 2-methoxy-N-(2-methyl-2-phenylpropyl)aniline?
2-methoxy-N-(2-methyl-2-phenylpropyl)aniline has a molecular weight of 255.36 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methyl-2-phenylpropyl)aniline is sourced from PubChem (CID 82538820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).